Spektraris NMR
Hexylitaconic Acid
Common Name: Hexylitaconic Acid
Synonyms: Hexylitaconic Acid
CAS Registry Number:
InChI: InChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKey: InChIKey=HKMDCNSGDQBQLI-UHFFFAOYSA-N
Formula: C11H18O4
Molecular Weight: 214.258648
Exact Mass: 214.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Klemke, C., Kehraus, S., Wright, A.D., Konig, G.M. J Nat Prod (2004) 67, 1058-63
Species:
Notes: Family : Miscellanea; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 179.7 |
| 2 (CH) | 46.6 |
| 3 (C) | 137.2 |
| 4 (C) | 171.7 |
| 5 (CH2) | 30.3 |
| 6 (CH2) | 27.3 |
| 7 (CH2) | 28.9 |
| 8 (CH2) | 31.5 |
| 9 (CH2) | 22.5 |
| 10 (CH3) | 14 |
| 11 (CH2) | 129.8 |
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